2-(5-bromothiophen-2-yl)-1-pyrrolidin-2-ylethanol

C10H14BrNOS — CID 106639985

IUPAC2-(5-bromothiophen-2-yl)-1-pyrrolidin-2-ylethanol
SMILESOC(Cc1ccc(Br)s1)C1CCCN1
InChIInChI=1S/C10H14BrNOS/c11-10-4-3-7(14-10)6-9(13)8-2-1-5-12-8/h3-4,8-9,12-13H,1-2,5-6H2
InChIKeyKTZMHCOLFSZYNM-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.17
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-pyrrolidin-2-ylethanol

2-(5-bromothiophen-2-yl)-1-pyrrolidin-2-ylethanol (PubChem CID 106639985) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-pyrrolidin-2-ylethanol.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-pyrrolidin-2-ylethanol
PubChem CID106639985
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name2-(5-bromothiophen-2-yl)-1-pyrrolidin-2-ylethanol
SMILESOC(Cc1ccc(Br)s1)C1CCCN1
InChIInChI=1S/C10H14BrNOS/c11-10-4-3-7(14-10)6-9(13)8-2-1-5-12-8/h3-4,8-9,12-13H,1-2,5-6H2
InChIKeyKTZMHCOLFSZYNM-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethylthiophen-2-yl)-1-pyrrolidin-2-ylethanol
CID 106639830
2-(4-bromo-2-chlorophenyl)-1-pyrrolidin-2-ylethanol
CID 106640010
2-[(5-bromothiophen-2-yl)methyl]piperidine
CID 63086364
2-(4-bromo-2-fluorophenyl)-1-piperidin-2-ylethanol
CID 106634576
2-(5-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)ethanol
CID 115336371
2-(5-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanol
CID 65423327
1-[(2R)-pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanol
CID 164654104
2-(5-bromothiophen-2-yl)-N-(2-methylpiperidin-3-yl)acetamide
CID 120575828
1-[(5-bromothiophen-2-yl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 63255802
2-[(5-bromothiophen-2-yl)methoxymethyl]pyrrolidine
CID 62335092
1-pyrrolidin-2-ylpropan-1-ol;hydrochloride
CID 172641162
2-(2,5-difluorophenyl)-1-piperidin-2-ylethanol
CID 106634597

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-pyrrolidin-2-ylethanol?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-pyrrolidin-2-ylethanol (CID 106639985) is 2-(5-bromothiophen-2-yl)-1-pyrrolidin-2-ylethanol.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-pyrrolidin-2-ylethanol?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-pyrrolidin-2-ylethanol is OC(Cc1ccc(Br)s1)C1CCCN1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-pyrrolidin-2-ylethanol?
The InChIKey is KTZMHCOLFSZYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c11-10-4-3-7(14-10)6-9(13)8-2-1-5-12-8/h3-4,8-9,12-13H,1-2,5-6H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-pyrrolidin-2-ylethanol?
2-(5-bromothiophen-2-yl)-1-pyrrolidin-2-ylethanol has a molecular weight of 276.20 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-pyrrolidin-2-ylethanol is sourced from PubChem (CID 106639985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).